1-Butanol → HCID 19428543, compound
Reaction equation
[CH2:31]([OH:32])[CH2:33][CH2:34][CH3:35].[Cl:1][c:2]1[n:3][c:4]([NH:9][C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[n:5][c:6]([Cl:8])[cH:7]1.[NH2:20][C:21]12[CH2:22][CH:23]3[CH2:24][CH:25]([CH2:26][CH:27]([CH2:28]1)[CH2:29]3)[CH2:30]2>>[c:2]1([NH:20][C:21]23[CH2:22][CH:23]4[CH2:24][CH:25]([CH2:26][CH:27]([CH2:28]2)[CH2:29]4)[CH2:30]3)[n:3][c:4]([NH:9][C:10]23[CH2:11][CH:12]4[CH2:13][CH:14]([CH2:15][CH:16]([CH2:17]2)[CH2:18]4)[CH2:19]3)[n:5][c:6]([Cl:8])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-999b5db20d8f42d8aa3681895ae741ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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